5-[[(2S)-4-Methyl-1-[[(2S)-2-[(4-Methyl-2-Oxo-1H-Quinolin-7-Yl)Amino]-3-Phenylpropanoyl]Amino]-1-Oxopentan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 111574-83-5]

Identification

• Name: 5-[[(2S)-4-Methyl-1-[[(2S)-2-[(4-Methyl-2-Oxo-1H-Quinolin-7-Yl)Amino]-3-Phenylpropanoyl]Amino]-1-Oxopentan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: 5-[[(1S)-3-Methyl-1-[[(2S)-2-[(4-Methyl-2-Oxo-1H-Quinolin-7-Yl)Amino]-3-Phenyl-Propanoyl]Carbamoyl]Butyl]Amino]-5-Oxo-Pentanoic Acid; 5-[[(1S)-3-Methyl-1-[[[(2S)-2-[(4-Methyl-2-Oxo-1H-Quinolin-7-Yl)Amino]-1-Oxo-3-Phenylpropyl]Amino]-Oxomethyl]Butyl]Amino]-5-Oxopentanoic Acid; 5-Keto-5-[[(1S)-1-[[(2S)-2-[(2-Keto-4-Methyl-1H-Quinolin-7-Yl)Amino]-3-Phenyl-Propanoyl]Carbamoyl]-3-Methyl-Butyl]Amino]Valeric Acid
• Molecular Formula: C₃₀H₃₆N₄O₆
• Molecular Weight: 548.64
• CAS Registry Number: 111574-83-5
• SMILES: [C@@H](NC2=CC1=C(C(=CC(=O)N1)C)C=C2)(C(=O)NC(=O)[C@@H](NC(=O)CCCC(=O)O)CC(C)C)CC3=CC=CC=C3
• InChI: 1S/C30H36N4O6/c1-18(2)14-24(33-26(35)10-7-11-28(37)38)29(39)34-30(40)25(16-20-8-5-4-6-9-20)31-21-12-13-22-19(3)15-27(36)32-23(22)17-21/h4-6,8-9,12-13,15,17-18,24-25,31H,7,10-11,14,16H2,1-3H3,(H,32,36)(H,33,35)(H,37,38)(H,34,39,40)/t24-,25-/m0/s1
• InChIKey: VONCEQXNIASEJL-DQEYMECFSA-N

Properties

• Density: 1.248g/cm³ (Cal.)
• Boiling point: 893.154°C at 760 mmHg (Cal.)
• Flash point: 493.962°C (Cal.)